>compound 3-Guanidinopropionic acid_3-Guanidinopropionic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C4H9N3O2
#smiles NC(=N)NCCC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100217.txt;LC-ESI-QTOF_train_data/PR100630.txt
>charge 1
>ionization [M+H]+
>parentmass 132.07727

>collision 5-60
72.0566 1018.0
90.0564 638.2
114.0682 415.4
115.0523 285.6
115.9674 180.6
132.0773 1452.0

>collision 5-60
88.0411 162.7
130.0617 11.12

